Geometry & MOs

Info

ID:	195330
PubChem CID:	78673852
Reduced:	NSC5O5H9 (2)
Stoich.:	ABC5D5E9 (2)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-397.43
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[3-(tert-butylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2C(=C([C@@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations